Software for Scientists Register   Contact    Follow us on Twitter   Follow us on Google+    Search
About us Diamond Endeavour Match! Pearson's CD  
About Endeavour
Function List...
Features...
Brochure (PDF)...
References...
Get Endeavour

Order Now

Demo Version

An Endeavour trial version is available free-of-charge and can be downloaded. More...

Quickstart

A quickstart manual is also available in Spanish. More...
Support
Updates...
Known Bugs...
Frequently Asked Questions...

Endeavour: Frequently Asked Questions

The "Frequently Asked Questions" (FAQ) page for Endeavour is still in an early state. If you encounter a problem with your installation, please check first, if your Endeavour version is up-to-date. You find an update opportunity on our Endeavour Update Page.

Since many functions of Endeavour, mainly the crystal structure visualization, are related with functions in Diamond, please also read the Frequently Asked Questions page for Diamond.

You can also send your comment or request to support@crystalimpact.com.

Q(uestion): I want to calculate the indexing and to find the unit cell parameters, but Endeavour can't do it.
A(nswer): I suggest to use the "Crysfire" powder indexing system that can be downloaded free-of-charge (for academic usage) from
http://www.ccp14.ac.uk/tutorial/crys/
I feel that this is an excellent and elaborate package for indexing, being able to use a large variety of different indexing programs/methods (ITO, TREOR, DICVOL, KOHL etc.). Having a variety of different indexing approaches available is generally adventageous, since not all methods are equally successful in solving different indexing problems.

Q: How can I define the total count of atoms per unit cell (cf. "Preparation of Structure Solution" wizard) - my XRD software can't find it.
A: the way to find a reasonable number of atoms per unit cell strongly depends on the compound under investigation. In any case, the composition (formula sum) of the compound under investigation must be known first. Typically, one can then use the density (either of the compound under investigation or the one of similar compounds) and/or the space filling as a guide:
First, the user should try to find a reasonable density and/or space filling percentage, e.g. by measurement and/or determining values from similar compounds/structures. Afterwards, the user should compare these value(s) to the ones that are calculated and displayed for the current input data in step 2 and 3 of Endeavour's so-called "structure solution wizard". Provided that the composition (formula sum) has already been entered, the user can then adjust the "Z" parameter (Z = number of formula units per unit cell) in order to find the best agreement between estimated and calculated density/space filling.
In some cases, it may also be helpful to take the multiplicity of the general position of the space group into account, in order to find a reasonable value for Z.